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Substance Name: Allantoin glycyrrhetinic acid
RN: 4572-09-2
UNII: H6FL381368
InChIKey: PCWYUXROTNZZHR-IHMBCTQLSA-N

Molecular Formula

  • C30-H46-O4.C4-H6-N4-O3

Molecular Weight

  • 628.8058
 
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Names and Synonyms

Name of Substance

  • Allantoin glycyrrhetinic acid
  • Olean-12-en-29-oic acid, 3beta-hydroxy-11-oxo-, compd. with allantoin (1:1)

Synonyms

  • Allantoin, compd. with glycyrrhetinic acid
  • UNII-H6FL381368

Systematic Name

  • Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)

Registry Numbers

CAS Registry Number

  • 4572-09-2

FDA UNII

  • H6FL381368

System Generated Number

  • 0004572092

Molecular Formulas

Molecular Formula

  • C30-H46-O4.C4-H6-N4-O3

Molecular Formula Fragments

  • C30-H46-O4
  • C4-H6-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H46O4.C4H6N4O3/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6;5-3(10)6-1-2(9)8-4(11)7-1/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34);1H,(H3,5,6,10)(H2,7,8,9,11)/t19-,21-,22-,23+,26+,27-,28-,29+,30+;/m0./s1

InChIKey

PCWYUXROTNZZHR-IHMBCTQLSA-N

Smiles

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O.NC(=O)NC6NC(=O)NC6=O